SCHEMBL6779745

SCHEMBL6779745

COc1ccc(S(=O)(=O)NCCCCn2cnc3c(N)nc(C)c(C)c32)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.44
HTR7 P34969 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
CYP24A1 Q07973 1/20 0.39
POLB P06746 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6777208 0.90 DRD2 (0.41) ALDH1A1PKMHTR7SMN1; SMN2L3MBTL1
SCHEMBL6779513 0.89 ALDH1A1 (0.38) ALDH1A1PKMMEN1KMT2AL3MBTL1
SCHEMBL6783971 0.88 ALDH1A1 (0.44) ALDH1A1PKMMEN1KMT2AHTR7
SCHEMBL6774053 0.87 HDAC1 (0.41) ALDH1A1PKMHTR7SMN1; SMN2LMNA
SCHEMBL6781246 0.86 HTR7 (0.39) ALDH1A1HTR7HTR1AHTR2AHTR2C
SCHEMBL6287653 0.83 F2 (0.39) ALDH1A1MEN1KMT2APOLB
SCHEMBL6287659 0.83 F2 (0.39) ALDH1A1MEN1KMT2APOLB
SCHEMBL14516485 0.83 ALDH1A1 (0.47) ALDH1A1PKMMEN1KMT2AUSP2
SCHEMBL6780196 0.82 TLR7 (0.37) ALDH1A1MEN1KMT2ALMNAHTR2A
SCHEMBL6778222 0.81 ALDH1A1 (0.40) ALDH1A1KMT2AHTR7SMN1; SMN2L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed